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Target
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand
BDBM597108
Substrate
n/a
Meas. Tech.
TR-FRET Binding Assay
Ki
<0.200±n/a nM
Citation
 Lee, T; Tarr, JC; Jeon, K; Salovich, JM; Shaw, S; Veerasamy, N; Kim, K; Christov, PP; Olejniczak, ET; Zhao, B; Fesik, SW; Bian, Z Substituted indole Mcl-1 inhibitors US Patent  US11596639 Publication Date 3/7/2023 
Target
Name:
Induced myeloid leukemia cell differentiation protein Mcl-1
Synonyms:
BCL2L3 | Bcl-2-like protein 3 | Bcl-2-like protein 3 (Mcl-1) | Bcl-2-related protein EAT/mcl1 | Bcl2-L-3 | Induced myeloid leukemia cell differentiation protein (Mcl-1) | MCL1 | MCL1_HUMAN | Mcl-1 | Myeloid Cell factor-1 (Mcl-1) | Myeloid cell leukemia sequence 1 (BCL2-related) | mcl1/EAT
Type:
Membrane; Single-pass membrane protein
Mol. Mass.:
37332.87
Organism:
Homo sapiens (Human)
Description:
Q07820
Residue:
350
Sequence:
MFGLKRNAVIGLNLYCGGAGLGAGSGGATRPGGRLLATEKEASARREIGGGEAGAVIGGSAGASPPSTLTPDSRRVARPPPIGAEVPDVTATPARLLFFAPTRRAAPLEEMEAPAADAIMSPEEELDGYEPEPLGKRPAVLPLLELVGESGNNTSTDGSLPSTPPPAEEEEDELYRQSLEIISRYLREQATGAKDTKPMGRSGATSRKALETLRRVGDGVQRNHETAFQGMLRKLDIKNEDDVKSLSRVMIHVFSDGVTNWGRIVTLISFGAFVAKHLKTINQESCIEPLAESITDVLVRTKRDWLVKQRGWDGFVEFFHVEDLEGGIRNVLLAFAGVAGVGAGLAYLIR
  
Inhibitor
Name:
BDBM597108
Synonyms:
US11596639, Example 715
Type:
Small organic molecule
Emp. Form.:
C45H50Cl2N6O5
Mol. Mass.:
825.822
SMILES:
C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(CCN2CCOCC2)cc2cc(C(O)=O)n(C)c12 |r,wD:1.0,(-1.95,5.67,;-1.95,4.13,;-.41,4.29,;.49,3.05,;-.13,1.64,;.77,.39,;-1.67,1.48,;-2.57,.23,;-2.17,-1.25,;-.69,-1.65,;-.29,-3.14,;1.2,-3.54,;1.6,-5.03,;3.09,-5.42,;3.49,-6.91,;4.97,-7.31,;2.4,-8,;2.79,-9.49,;.91,-7.6,;-.18,-8.69,;.51,-6.12,;-4.04,.71,;-5.37,-.06,;-6.7,.71,;-6.7,2.25,;-8.04,3.02,;-5.37,3.02,;-5.37,4.56,;-6.62,5.46,;-8.08,4.99,;-6.14,6.93,;-4.6,6.93,;-3.69,8.17,;-4.12,5.46,;-2.66,4.99,;-4.04,2.25,;-2.57,2.73,;2.02,3.21,;2.93,1.96,;4.46,2.12,;5.36,.88,;4.74,-.53,;5.64,-1.78,;5.02,-3.18,;5.92,-4.43,;7.45,-4.27,;8.08,-2.86,;7.18,-1.61,;5.09,3.53,;4.18,4.78,;4.5,6.28,;3.17,7.05,;3.01,8.58,;4.25,9.49,;1.6,9.21,;2.02,6.02,;.52,6.34,;2.65,4.61,)|
Structure:
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